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| CAS No.: | 1452-77-3 |
|---|---|
| Name: | PYRIDINE-2-CARBOXAMIDE |
| Article Data: | 202 |
| Molecular Structure: | |
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| Formula: | C6H6N2O |
| Molecular Weight: | 122.126 |
| Synonyms: | 2-PicolinaMide;Picolinamide;Pyridine-2-carboxamide;PYRIDINE-2-CARBOXAMIDE; |
| EINECS: | 215-921-5 |
| Density: | 1.204 g/cm3 |
| Melting Point: | 110°C (dec.)(lit.) |
| Boiling Point: | 334.4 °C at 760 mmHg |
| Flash Point: | 156 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 55.98000 |
| LogP: | 0.88080 |
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Specification
This chemical is called 2-Pyridinecarboxamide, and its systematic name is pyridine-2-carboxamide. With the molecular formula of C6H6N2O, its molecular weight is 122.12. The CAS registry number of this chemical is 1452-77-3. Additionally, its product category is Heterocyclic Compounds.
Other characteristics of the 2-Pyridinecarboxamide can be summarised as followings: (1)ACD/LogP: 0.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.68; (8)ACD/KOC (pH 7.4): 23.69; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.2 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 33.27 cm3; (15)Molar Volume: 101.3 cm3; (16)Polarizability: 13.19×10-24cm3; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.204 g/cm3; (19)Flash Point: 156 °C; (20)Enthalpy of Vaporization: 57.74 kJ/mol; (21)Boiling Point: 334.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000128 mmHg at 25°C.
Production method of this chemical: The 2-Pyridinecarboxamide could be obtained by the reactant of pyridine-2-carbonitrile. This reaction needs the reagent of NaY zeolite. The yield is 92 %. In addition, this reaction should be taken for 24 hours. The other condition is heating.
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Uses of this chemical: The 2-Pyridinecarboxamide could react with methanol, and obtain the [2]pyridyl-carbamic acid methyl ester. This reaction needs the reagents of PhI(OAc)2, KOH. The yield is 86 %.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(N)c1ncccc1
2.InChI: InChI=1/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)
3.InChIKey: IBBMAWULFFBRKK-UHFFFAOYAY